5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole

C15H12BrClN4O — CID 132593120

IUPAC5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1cccc(COc2c(Cl)cc(-c3nn[nH]n3)cc2Br)c1
InChIInChI=1S/C15H12BrClN4O/c1-9-3-2-4-10(5-9)8-22-14-12(16)6-11(7-13(14)17)15-18-20-21-19-15/h2-7H,8H2,1H3,(H,18,19,20,21)
InChIKeyJZUGSRSCSMBAFH-UHFFFAOYSA-N
MW379.65 g/mol
LogP4.17
Rot. Bonds4

About 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole

5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole (PubChem CID 132593120) has the molecular formula C15H12BrClN4O and a molecular weight of 379.65 g/mol. Its IUPAC name is 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
PubChem CID132593120
Molecular FormulaC15H12BrClN4O
Molecular Weight379.65 g/mol
Exact Mass377.99
IUPAC Name5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
SMILESCc1cccc(COc2c(Cl)cc(-c3nn[nH]n3)cc2Br)c1
InChIInChI=1S/C15H12BrClN4O/c1-9-3-2-4-10(5-9)8-22-14-12(16)6-11(7-13(14)17)15-18-20-21-19-15/h2-7H,8H2,1H3,(H,18,19,20,21)
InChIKeyJZUGSRSCSMBAFH-UHFFFAOYSA-N
XLogP4.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
CID 43379204
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
N-[[6-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 66544175
5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686192
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
3-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
CID 10113366

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole (CID 132593120) is 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole is Cc1cccc(COc2c(Cl)cc(-c3nn[nH]n3)cc2Br)c1.
What is the InChIKey of 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole?
The InChIKey is JZUGSRSCSMBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O/c1-9-3-2-4-10(5-9)8-22-14-12(16)6-11(7-13(14)17)15-18-20-21-19-15/h2-7H,8H2,1H3,(H,18,19,20,21).
What are the key properties of 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole?
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole has a molecular weight of 379.65 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 132593120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).